Geometry & MOs

Info

ID:	322456
PubChem CID:	126670198
Reduced:	NC14H27 (1)
Stoich.:	AB14C27 (1)
Weight, g/mol:	553.241308
ΔH_f, kcal/mol:	-23.95
Dipole, Da:	1.79
IP(EA), eV:	-9.1(2.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-indol-1-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC(C)C1C2N1CCCCCCCC2

DOS

IR

Vibrations